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PUBCHEM-ZINC06408265

 MMsINC code: MMs03711789
Type: Neutral
Formula: C15H25N3O3S
SMILES:   S(CCC1NC(=O)N(CC(=O)NC2CCCCCC2)C1=O)C
InChI:   InChI=1/C15H25N3O3S/c1-22-9-8-12-14(20)18(15(21)17-12)10-13(19)16-11-6-4-2-3-5-7-11/h11-12H,2-10H2,1H3,(H,16,19)(H,17,21)/t12-/m1/s1

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Potential Energy
Epot(MMFF94)=26.0774 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 327.449 g/mol  logS: -3.38707  SlogP: 1.4989  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0467145  Sterimol/B1: 3.13847  Sterimol/B2: 3.35305  Sterimol/B3: 4.55319
  Sterimol/B4: 4.5935  Sterimol/L: 19.7359 
 
 Surface and Volume Properties
  Accessible surface: 598.101  Positive charged surface: 406.938  Negative charged surface: 191.163  Volume: 312
  Hydrophobic surface: 419.597  Hydrophilic surface: 178.504
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.